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3-[[3,5-dimethyl-4-(4-oxidanyl-3-thiophen-3-yl-phenoxy)phenyl]amino]-3-oxidanylidene-propanoic acid

3-[[3,5-dimethyl-4-(4-oxidanyl-3-thiophen-3-yl-phenoxy)phenyl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name:3-[[3,5-dimethyl-4-(4-oxidanyl-3-thiophen-3-yl-phenoxy)phenyl]amino]-3-oxidanylidene-propanoic acid
Openeye Name:3-[4-[4-hydroxy-3-(3-thienyl)phenoxy]-3,5-dimethyl-anilino]-3-oxo-propanoic acid
CAS Name:3-[4-[4-hydroxy-3-(3-thiophenyl)phenoxy]-3,5-dimethylanilino]-3-oxopropanoic acid
IUPAC Name:3-[4-(4-hydroxy-3-thiophen-3-ylphenoxy)-3,5-dimethylanilino]-3-oxopropanoic acid
Traditional Name:3-[4-[4-hydroxy-3-(3-thienyl)phenoxy]-3,5-dimethyl-anilino]-3-keto-propionic acid
Formula: C21H19NO5S
MolecularWeight: 397.44426
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C3=CSC=C3)C)NC(=O)CC(=O)O


Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C3=CSC=C3)C)NC(=O)CC(=O)O


InChI

InChI=1S/C21H19NO5S/c1-12-7-15(22-19(24)10-20(25)26)8-13(2)21(12)27-16-3-4-18(23)17(9-16)14-5-6-28-11-14/h3-9,11,23H,10H2,1-2H3,(H,22,24)(H,25,26)


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